UCSF

ZINC16713643

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-isopentyloxy-3-methoxy-phenyl)-4-(4-methylbenzoyl)-5H- (5S)-1-(3-dimethylaminopropyl)-3…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 13.54 -80.23 1 7 0 83 494.632 12 ↓
Mid Mid (pH 6-8) 4.87 12.38 -62.37 2 7 1 81 495.64 11 ↓
Mid Mid (pH 6-8) 3.84 13.4 -63.68 1 7 1 77 495.64 12 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )